4-chloro-2-fluoro-N-[1-[4-(3-methylpiperidin-1-yl)phenyl]ethyl]benzamide

C21H24ClFN2O — CID 133219418

IUPAC4-chloro-2-fluoro-N-[1-[4-(3-methylpiperidin-1-yl)phenyl]ethyl]benzamide
SMILESCC1CCCN(c2ccc(C(C)NC(=O)c3ccc(Cl)cc3F)cc2)C1
InChIInChI=1S/C21H24ClFN2O/c1-14-4-3-11-25(13-14)18-8-5-16(6-9-18)15(2)24-21(26)19-10-7-17(22)12-20(19)23/h5-10,12,14-15H,3-4,11,13H2,1-2H3,(H,24,26)
InChIKeyXVEGLKNXPUOQKS-UHFFFAOYSA-N
MW374.89 g/mol
LogP5.21
Rot. Bonds4

About 4-chloro-2-fluoro-N-[1-[4-(3-methylpiperidin-1-yl)phenyl]ethyl]benzamide

4-chloro-2-fluoro-N-[1-[4-(3-methylpiperidin-1-yl)phenyl]ethyl]benzamide (PubChem CID 133219418) has the molecular formula C21H24ClFN2O and a molecular weight of 374.89 g/mol. Its IUPAC name is 4-chloro-2-fluoro-N-[1-[4-(3-methylpiperidin-1-yl)phenyl]ethyl]benzamide.

Molecular Properties

Compound Name4-chloro-2-fluoro-N-[1-[4-(3-methylpiperidin-1-yl)phenyl]ethyl]benzamide
PubChem CID133219418
Molecular FormulaC21H24ClFN2O
Molecular Weight374.89 g/mol
Exact Mass374.16
IUPAC Name4-chloro-2-fluoro-N-[1-[4-(3-methylpiperidin-1-yl)phenyl]ethyl]benzamide
SMILESCC1CCCN(c2ccc(C(C)NC(=O)c3ccc(Cl)cc3F)cc2)C1
InChIInChI=1S/C21H24ClFN2O/c1-14-4-3-11-25(13-14)18-8-5-16(6-9-18)15(2)24-21(26)19-10-7-17(22)12-20(19)23/h5-10,12,14-15H,3-4,11,13H2,1-2H3,(H,24,26)
InChIKeyXVEGLKNXPUOQKS-UHFFFAOYSA-N
XLogP5.21
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500374.89
LogP ≤ 55.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Related Compounds

2,4-dichloro-N-[(1S)-1-[4-[(3R)-3-methylpiperidin-1-yl]phenyl]ethyl]benzamide
CID 99994549
2,4-dichloro-N-[1-[4-(3-methylpiperidin-1-yl)phenyl]ethyl]benzamide
CID 132659437
4-chloro-N-[(1R)-1-[4-[(3S)-3-methylpiperidin-1-yl]phenyl]ethyl]benzamide
CID 125042505
2-methyl-N-[(1S)-1-[4-[(3S)-3-methylpiperidin-1-yl]phenyl]ethyl]propanamide
CID 98771920
(E)-3-(4-chlorophenyl)-N-[1-[4-(3-methylpiperidin-1-yl)phenyl]ethyl]prop-2-enamide
CID 132657685
2-(2,4-dichlorophenoxy)-N-[(1R)-1-[4-[(3S)-3-methylpiperidin-1-yl]phenyl]ethyl]acetamide
CID 125042477
3,5-dimethoxy-N-[1-[4-(3-methylpiperidin-1-yl)phenyl]ethyl]benzamide
CID 132657563
4-(4-chlorophenyl)sulfanyl-N-[(1R)-1-[4-[(3S)-3-methylpiperidin-1-yl]phenyl]ethyl]butanamide
CID 125042875
N-[(1R)-1-[4-[(3S)-3-methylpiperidin-1-yl]phenyl]ethyl]-4-phenylbenzamide
CID 125042587
4-chloro-2-fluoro-N-[(1R)-1-phenylethyl]benzamide
CID 26004040
4-(azepan-1-ylmethyl)-N-[(1S)-1-[4-[(3S)-3-methylpiperidin-1-yl]phenyl]ethyl]benzamide
CID 125044162
N-[(1R)-1-[4-[(3R)-3-methylpiperidin-1-yl]phenyl]ethyl]-3-(methylsulfamoyl)benzamide
CID 100622287

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-fluoro-N-[1-[4-(3-methylpiperidin-1-yl)phenyl]ethyl]benzamide?
The IUPAC name of 4-chloro-2-fluoro-N-[1-[4-(3-methylpiperidin-1-yl)phenyl]ethyl]benzamide (CID 133219418) is 4-chloro-2-fluoro-N-[1-[4-(3-methylpiperidin-1-yl)phenyl]ethyl]benzamide.
What is the SMILES notation for 4-chloro-2-fluoro-N-[1-[4-(3-methylpiperidin-1-yl)phenyl]ethyl]benzamide?
The canonical SMILES for 4-chloro-2-fluoro-N-[1-[4-(3-methylpiperidin-1-yl)phenyl]ethyl]benzamide is CC1CCCN(c2ccc(C(C)NC(=O)c3ccc(Cl)cc3F)cc2)C1.
What is the InChIKey of 4-chloro-2-fluoro-N-[1-[4-(3-methylpiperidin-1-yl)phenyl]ethyl]benzamide?
The InChIKey is XVEGLKNXPUOQKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24ClFN2O/c1-14-4-3-11-25(13-14)18-8-5-16(6-9-18)15(2)24-21(26)19-10-7-17(22)12-20(19)23/h5-10,12,14-15H,3-4,11,13H2,1-2H3,(H,24,26).
What are the key properties of 4-chloro-2-fluoro-N-[1-[4-(3-methylpiperidin-1-yl)phenyl]ethyl]benzamide?
4-chloro-2-fluoro-N-[1-[4-(3-methylpiperidin-1-yl)phenyl]ethyl]benzamide has a molecular weight of 374.89 g/mol, XLogP of 5.21, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-fluoro-N-[1-[4-(3-methylpiperidin-1-yl)phenyl]ethyl]benzamide is sourced from PubChem (CID 133219418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).